Geometry & MOs

Info

ID:

317179

PubChem CID:

126632748

Reduced:

S2N8H54C93 (1)

Stoich.:

A2B8C54D93 (1)

Weight, g/mol:

1115.377016

ΔHf, kcal/mol:

481.27

Dipole, Da:

1.01

IP(EA), eV:

 -8.0(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[4-[2-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]-6-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]-[1]benzothiolo[3,2-c]carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)C6=C(N5C7=NC(=NC(=N7)N8C9=CC=CC=C9C1=C8C=C(C=C1)C1=CC3=C(C=C1)C1=CC=CC=C1S3)N1C3=C(C4=CC=CC=C41)C1=C(C=C3)C3=CC=CC=C3S1)C=C(C=C6)C1=CC3=C(C=C1)N(C1=CC=CC=C13)C1=CC=CC=C1)C1=CC=CC=C12

DOS

IR

Vibrations